6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide

C20H20N2O4 — CID 70696942

IUPAC6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide
SMILESO=C(CCCCCn1c(=O)c2ccccc2c(=O)c2ccccc21)NO
InChIInChI=1S/C20H20N2O4/c23-18(21-26)12-2-1-7-13-22-17-11-6-5-10-16(17)19(24)14-8-3-4-9-15(14)20(22)25/h3-6,8-11,26H,1-2,7,12-13H2,(H,21,23)
InChIKeyDWGQSWDHTDLHAS-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.58
Rot. Bonds6

About 6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide

6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide (PubChem CID 70696942) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide
PubChem CID70696942
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide
SMILESO=C(CCCCCn1c(=O)c2ccccc2c(=O)c2ccccc21)NO
InChIInChI=1S/C20H20N2O4/c23-18(21-26)12-2-1-7-13-22-17-11-6-5-10-16(17)19(24)14-8-3-4-9-15(14)20(22)25/h3-6,8-11,26H,1-2,7,12-13H2,(H,21,23)
InChIKeyDWGQSWDHTDLHAS-UHFFFAOYSA-N
XLogP2.58
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[6-(9-oxoacridin-10-yl)hexanoylamino]ethylcarbamic acid
CID 66853989
N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998600
6-(2-bromo-9-oxoacridin-10-yl)hexanoic acid
CID 10194105
4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid
CID 175145821
10-(6-chlorohexyl)acridin-9-one
CID 44566069
N-[(4-chlorophenyl)methyl]-4-(9-oxoacridin-10-yl)butanamide
CID 15994556
10-(3-hydroxypropyl)acridin-9-one
CID 12677142
5-(4-bromobutyl)phenanthridin-6-one
CID 19382417
5-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50763061
7-(9-oxo-2-sulfoacridin-10-yl)heptanoic acid
CID 87872408
6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid
CID 67024047
1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide
CID 46830417

Frequently Asked Questions

What is the IUPAC name of 6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide?
The IUPAC name of 6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide (CID 70696942) is 6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide.
What is the SMILES notation for 6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide?
The canonical SMILES for 6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide is O=C(CCCCCn1c(=O)c2ccccc2c(=O)c2ccccc21)NO.
What is the InChIKey of 6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide?
The InChIKey is DWGQSWDHTDLHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(21-26)12-2-1-7-13-22-17-11-6-5-10-16(17)19(24)14-8-3-4-9-15(14)20(22)25/h3-6,8-11,26H,1-2,7,12-13H2,(H,21,23).
What are the key properties of 6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide?
6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide has a molecular weight of 352.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide is sourced from PubChem (CID 70696942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).